Results 81 to 90 of about 3,073,614 (389)

Probing defects and correlations in the hydrogen-bond network of ab initio water

, 2016
The hydrogen-bond network of water is characterized by the presence of coordination defects relative to the ideal tetrahedral network of ice, whose fluctuations determine the static and time-dependent properties of the liquid.
Ceriotti, Michele, Gasparotto, Piero, Hassanali, Ali A.   +2 more
core   +13 more sources

A comparative molecular dynamics study of sulfuric and methanesulfonic acids [PDF]

, 2016
The molecular dynamics computer simulation method has been used to study sulfuric and methanesulfonic acids. Calculations have been carried out between 200 K and 400 K using reliable force fields.
Canales Gabriel, Manel, Guàrdia Manuel, Elvira   +1 more
core   +2 more sources

Potential therapeutic targeting of BKCa channels in glioblastoma treatment

Molecular Oncology, EarlyView.
This review summarizes current insights into the role of BKCa and mitoBKCa channels in glioblastoma biology, their potential classification as oncochannels, and the emerging pharmacological strategies targeting these channels, emphasizing the translational challenges in developing BKCa‐directed therapies for glioblastoma treatment.
Kamila Maliszewska‐Olejniczak, Karolina Pytlak, Sandra Jaworowska, Bogusz Kulawiak, Piotr Bednarczyk   +4 more
wiley   +1 more source

(2E)-2-(3-Ethoxy-2-hydroxybenzylidene)hydrazinecarboxamide

Acta Crystallographica Section E, 2013
The title compound, C10H13N3O3, adopts an E conformation with respect to the azomethine bond and crystallizes in the amide form. A classical intramolecular O—H...N hydrogen bond is present.
A. Ambili Aravindakshan, M. Sithambaresan, M. R. Prathapachandra Kurup   +2 more
doaj   +1 more source

Crystalline hydrogen bonding of water molecules confined in a metal-organic framework [PDF]

, 2022
Jinhee Bae, Sun Ho Park, Dohyun Moon, Nak Cheon Jeong   +3 more
openalex   +1 more source

Compact phases of polymers with hydrogen bonding [PDF]

, 2003
We propose an off-lattice model for a self-avoiding homopolymer chain with two different competing attractive interactions, mimicking the hydrophobic effect and the hydrogen bond formation respectively. By means of Monte Carlo simulations, we are able to
A.D. Sokal, Antonio Trovato, H.S. Chan, I.M. Lifshitz, J. Borg, J. Ferkinghoff-Borg, J.P. Kemp, Jesper Ferkinghoff-Borg, K.A. Dill, L. Pauling, L.M. Gregoret, Mogens H. Jensen, N.D. Socci, P. Grassberger, T.P. Creamer, U.H.E. Hansmann, V.G. Rostiashvili, Y. Zhou   +17 more
core   +1 more source

Berberine–cinnamic acid co‐crystal effect in ameliorating hyperlipidemia might be regulated through the PI3K/AKT/mTOR/SREBP‐1 signaling pathway

FEBS Open Bio, EarlyView.
Berberine–cinnamic acid co‐crystal (BBR‐CA) inhibits the phosphorylation of the phosphatidylinositol 3‐kinase (PI3K)/AKT/mammalian target of rapamycin (mTOR) pathway, suppressing the transfer of pre‐sterol regulatory element‐binding proteins‐1 (SREBP‐1) from the endoplasmic reticulum to the nucleus. This results in a decrease in the expression level of
Wenheng Gao, Yunlong Li, Lihua Chen, Wenshuo Yang, Yong He, Ye Yang, Dengke Yin, Song Tan   +7 more
wiley   +1 more source

Water Based Synthesis of ZIF-8 Assisted by Hydrogen Bond Acceptors and Enhancement of CO₂ Uptake by Solvent Assisted Ligand Exchange

Crystals, 2020
The aim of this work was to synthesize zeolitic imidazolate framework-8 (ZIF-8) by an alternative method and then modify the surface properties for enhancing the CO2 adsorption performance.
Kasama Kenyotha, Kingkaew Chayakul Chanapattharapol, Sirirath McCloskey, Phongphan Jantaharn   +3 more
doaj   +1 more source

Manipulating hydrogen bond dissociation rates and mechanisms in water dimer through vibrational strong coupling [PDF]

, 2023
Qi Yu, Joel M. Bowman
openalex   +1 more source

Short‐term actions of epigalocatechin‐3‐gallate in the liver: a mechanistic insight into hypoglycemic and potential toxic effects

FEBS Open Bio, EarlyView.
Epigallocatechin‐3‐gallate (EGCG) acutely inhibited gluconeogenesis and enhanced glycolysis, glycogenolysis, and fatty acid oxidation in perfused rat livers. Mechanistic assays revealed mitochondrial uncoupling, inhibition of pyruvate carboxylation and glucose‐6‐phosphatase, shift of NADH/NAD+ ratios toward oxidation, and loss of membrane integrity ...
Carla Indianara Bonetti, Bruna Lopes Correia, Francielle Cristina Nakamura Manicardi, Nairana Mithieli de Queiroz Eskuarek Melo, Vanesa de Oliveira Pateis, Jurandir Fernando Comar, Anacharis Babeto de Sá‐Nakanishi, Adelar Bracht, Lívia Bracht   +8 more
wiley   +1 more source